N-methyl-2-{4-[2-(pyridin-2-yl)-1H-imidazol-1-yl]phenyl}acetamide

• ChemBase ID: 827163
• Molecular Formular: C17H16N4O
• Molecular Mass: 292.33514
• Monoisotopic Mass: 292.13241115
• SMILES: n1(c(ncc1)c1ncccc1)c1ccc(CC(=O)NC)cc1
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)n1ccnc1c1ccccn1
• InChI: InChI=1S/C17H16N4O/c1-18-16(22)12-13-5-7-14(8-6-13)21-11-10-20-17(21)15-4-2-3-9-19-15/h2-11H,12H2,1H3,(H,18,22)
• InChIKey: HLTHGMDFWSPKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{4-[2-(pyridin-2-yl)-1H-imidazol-1-yl]phenyl}acetamide
• IUPAC Traditional name: N-methyl-2-{4-[2-(pyridin-2-yl)imidazol-1-yl]phenyl}acetamide
• Synonyms: N-methyl-2-[4-(2-pyridin-2-yl-1H-imidazol-1-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.743961
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9828596
• LogD (pH = 7.4): 1.9838278
• Log P: 1.9838402
• Molar Refractivity: 104.6056 cm^3
• Polarizability: 33.54 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.32
• LOG S: -2.46
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4